5-(azetidin-3-yl)-1,3-dimethylpyrazole

C8H13N3 — CID 123225069

IUPAC5-(azetidin-3-yl)-1,3-dimethylpyrazole
SMILESCc1cc(C2CNC2)n(C)n1
InChIInChI=1S/C8H13N3/c1-6-3-8(11(2)10-6)7-4-9-5-7/h3,7,9H,4-5H2,1-2H3
InChIKeyMKIYLVKRAFBDPB-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.42
Rot. Bonds1

About 5-(azetidin-3-yl)-1,3-dimethylpyrazole

5-(azetidin-3-yl)-1,3-dimethylpyrazole (PubChem CID 123225069) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1,3-dimethylpyrazole
PubChem CID123225069
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-(azetidin-3-yl)-1,3-dimethylpyrazole
SMILESCc1cc(C2CNC2)n(C)n1
InChIInChI=1S/C8H13N3/c1-6-3-8(11(2)10-6)7-4-9-5-7/h3,7,9H,4-5H2,1-2H3
InChIKeyMKIYLVKRAFBDPB-UHFFFAOYSA-N
XLogP0.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(azetidin-3-yl)-1,3-dimethylpyrazole (CID 123225069) is 5-(azetidin-3-yl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(azetidin-3-yl)-1,3-dimethylpyrazole is Cc1cc(C2CNC2)n(C)n1.
What is the InChIKey of 5-(azetidin-3-yl)-1,3-dimethylpyrazole?
The InChIKey is MKIYLVKRAFBDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-3-8(11(2)10-6)7-4-9-5-7/h3,7,9H,4-5H2,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-1,3-dimethylpyrazole?
5-(azetidin-3-yl)-1,3-dimethylpyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1,3-dimethylpyrazole is sourced from PubChem (CID 123225069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).